Albaconazole
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Albaconazole
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CAS No:
187949-02-6
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Formula:
C20H16ClF2N5O2
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Chemical Name:
Albaconazole
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Synonyms:
4(3H)-Quinazolinone,7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-;4(3H)-Quinazolinone,7-chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-,[R-(R*,R*)]-;7-Chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4(3H)-quinazolinone;UR 9825;(1R,2R)-7-Chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]quinazolin-4(3H)-one;Albaconazole;UR 9625
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CAS No:
Description
White to Off-White Solid
Albaconazole has been used in trials studying the basic science of Onychomycosis.
Characteristics
83.6
3.00
1.5±0.1 g/cm3
93-110 °C
658.9±65.0 °C at 760 mmHg
352.3±34.3 °C
1.667
-20°C Freezer
2.94E-18mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Drug Information
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)
7-chloro-3-(2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)quinazolin-4(3H)-one
Computed Properties
Molecular Weight:431.8
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:431.0960588
Monoisotopic Mass:431.0960588
Topological Polar Surface Area:83.6
Heavy Atom Count:30
Complexity:673
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes